BDBM86104 Sulfoglucobrassicin, 4

SMILES: OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O

InChI Key: InChIKey=NHWMLZAIOVWHLI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 86104   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lipoxygenase (Glycine max (Soybean) (Glycine hispida))	BDBM86104 (Sulfoglucobrassicin, 4) Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O |w:21.23| Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a	8.0	25
PCSIR Laboratories Complex					Assay Description LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.				J Enzyme Inhib Med Chem 23: 313-6 (2008) Article DOI: 10.1080/14756360701536455 BindingDB Entry DOI: 10.7270/Q2930RRD
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM86104 (Sulfoglucobrassicin, 4) Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O |w:21.23| Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	8.0	25
PCSIR Laboratories Complex					Assay Description Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...				J Enzyme Inhib Med Chem 23: 313-6 (2008) Article DOI: 10.1080/14756360701536455 BindingDB Entry DOI: 10.7270/Q2930RRD
					More data for this Ligand-Target Pair